%chk=000078843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078843

0 1
 O    4.529300      -1.808100      0.8328000    
 O   4.8500001E-02  -2.981600      0.5304000    
 O   -2.336600       1.652700      0.4491000    
 O   -3.306600       2.989300       2.004800    
 N  -1.8999999E-02 -0.7627000     -0.2294000    
 N   0.7688000       1.850400     -0.9880000    
 N  -0.6205000       3.444000     -0.3749000    
 N   0.3122000       2.503300     -2.5599999E-02
 C    1.337800     -0.3627000     -0.1532000    
 C    4.001600      0.3813000      1.2100000E-02
 C    1.708500      0.9185000     -0.5277000    
 C    3.612500     -0.9052000      0.3850000    
 C    2.271500      -1.280000      0.3020000    
 C    3.049700       1.293100     -0.4444000    
 C    5.432900      0.7989000      9.4200000E-02
 C  -0.5835000      -2.002600      0.1014000    
 C   -2.016900      -2.124400     -0.1104000    
 C   -2.646300      -1.345500      -1.081400    
 C   -2.762300      -3.020100      0.6563000    
 C   -1.498800       3.882800      0.6904000    
 C    5.151700      -2.638900     -0.1450000    
 C   -4.021300      -1.462300      -1.285600    
 C   -4.137400      -3.136700      0.4521000    
 C   -4.767000      -2.357700     -0.5186000    
 C   -1.036300       3.656500      -1.750500    
 C   -2.472600       2.817600       1.124300    
 H    2.049700      -2.290300      0.6099000    
 H    3.349300       2.296400     -0.7391000    
 H  -0.6383000     -1.5699999E-02 -0.5325000    
 H    5.988800      0.4193000     -0.7687000    
 H    5.530700       1.890100      0.1081000    
 H    5.900200      0.4301000       1.013300    
 H   -2.103600     -0.6628000      -1.728500    
 H   -2.292400      -3.632700       1.421400    
 H   -2.050600       4.769300      0.3641000    
 H  -0.8736000       4.145800       1.550400    
 H    5.663100      -2.038400     -0.9033000    
 H    4.409500      -3.288100     -0.6203000    
 H    5.891200      -3.266400      0.3600000    
 H   -4.510500     -0.8620000      -2.047100    
 H   -4.718100      -3.833400       1.049700    
 H   -1.758600       2.886000      -2.033100    
 H  -0.1722000       3.628700      -2.420300    
 H   -1.498000       4.643900      -1.842600    
 H   -5.837300      -2.449500     -0.6787000    
 H   -2.979500      0.9771000      0.7530000    


%chk=000078843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078843

0 1
O 5.018058 -1.745444 -0.225804
O 0.390688 -3.017442 0.582151
O -2.440154 3.226645 -2.441039
O -4.149151 1.841484 -1.692611
N 0.192455 -0.707547 0.157036
N 0.955426 2.166391 -0.230920
N -1.113200 3.035233 0.001995
N -0.321043 1.903973 -0.049659
C 1.544855 -0.331125 -0.019106
C 4.270505 0.513176 -0.421483
C 1.852512 1.063351 -0.214899
C 3.931807 -0.860077 -0.215565
C 2.599992 -1.278102 -0.015459
C 3.213667 1.434101 -0.411623
C 5.710630 0.927917 -0.631136
C -0.325577 -1.979191 0.398640
C -1.830559 -2.052671 0.448274
C -2.675820 -1.125488 -0.216646
C -2.413957 -3.129681 1.163899
C -2.541294 2.761117 -0.050735
C 4.737504 -3.171246 -0.015204
C -4.080228 -1.256693 -0.147108
C -3.816120 -3.259676 1.238086
C -4.653218 -2.320891 0.587824
C -0.554430 4.371999 -0.253637
C -3.140090 2.537457 -1.450555
H 2.336336 -2.322501 0.155741
H 3.415534 2.500487 -0.558267
H -0.450340 0.108975 0.136446
H 6.146682 0.423405 -1.512965
H 5.790735 2.018902 -0.774487
H 6.338523 0.638993 0.231856
H -2.248502 -0.324722 -0.830977
H -1.747105 -3.852703 1.644880
H -3.092366 3.599686 0.414079
H -2.765090 1.855199 0.536615
H 4.076150 -3.569339 -0.807687
H 4.272184 -3.345312 0.973215
H 5.719155 -3.665189 -0.061218
H -4.712253 -0.533627 -0.673447
H -4.257445 -4.091151 1.798745
H -0.208758 4.470092 -1.299767
H 0.309346 4.542809 0.410052
H -1.339193 5.119647 -0.055210
H -5.742731 -2.424548 0.643267
H -2.854419 3.050627 -3.329686


